[2-(aminomethyl)phenyl]sulfanyl-phenylmethanol

C14H15NOS — CID 66590008

IUPAC[2-(aminomethyl)phenyl]sulfanyl-phenylmethanol
SMILESNCc1ccccc1SC(O)c1ccccc1
InChIInChI=1S/C14H15NOS/c15-10-12-8-4-5-9-13(12)17-14(16)11-6-2-1-3-7-11/h1-9,14,16H,10,15H2
InChIKeyCJZHZEGLKHNOEP-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.93
Rot. Bonds4

About [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol

[2-(aminomethyl)phenyl]sulfanyl-phenylmethanol (PubChem CID 66590008) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl]sulfanyl-phenylmethanol
PubChem CID66590008
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name[2-(aminomethyl)phenyl]sulfanyl-phenylmethanol
SMILESNCc1ccccc1SC(O)c1ccccc1
InChIInChI=1S/C14H15NOS/c15-10-12-8-4-5-9-13(12)17-14(16)11-6-2-1-3-7-11/h1-9,14,16H,10,15H2
InChIKeyCJZHZEGLKHNOEP-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)phenyl]sulfanylethanol
CID 63808391
(2-butan-2-ylsulfanylphenyl)methanamine
CID 43528764
(2-propylsulfanylphenyl)methanamine
CID 43528783
1-[2-(aminomethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170819603
2-(aminomethyl)phenol;methane
CID 158060419
2-amino-1-phenylethanol;ethane
CID 91425169
4-[2-(aminomethyl)phenyl]sulfanylphenol;(Z)-but-2-enedioic acid
CID 127021148
[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol
CID 104721149
2-(2-propan-2-ylsulfanylphenyl)acetic acid
CID 12533893
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol?
The IUPAC name of [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol (CID 66590008) is [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol.
What is the SMILES notation for [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol?
The canonical SMILES for [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol is NCc1ccccc1SC(O)c1ccccc1.
What is the InChIKey of [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol?
The InChIKey is CJZHZEGLKHNOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-10-12-8-4-5-9-13(12)17-14(16)11-6-2-1-3-7-11/h1-9,14,16H,10,15H2.
What are the key properties of [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol?
[2-(aminomethyl)phenyl]sulfanyl-phenylmethanol has a molecular weight of 245.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl]sulfanyl-phenylmethanol is sourced from PubChem (CID 66590008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).